2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one

C15H20N4O3 — CID 14690394

IUPAC2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one
SMILESCCN(CC)c1nc2cc([N+](=O)[O-])ccc2c(=O)n1C(C)C
InChIInChI=1S/C15H20N4O3/c1-5-17(6-2)15-16-13-9-11(19(21)22)7-8-12(13)14(20)18(15)10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyRGIXSIAELVNJQZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.73
Rot. Bonds5

About 2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one

2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one (PubChem CID 14690394) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one
PubChem CID14690394
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one
SMILESCCN(CC)c1nc2cc([N+](=O)[O-])ccc2c(=O)n1C(C)C
InChIInChI=1S/C15H20N4O3/c1-5-17(6-2)15-16-13-9-11(19(21)22)7-8-12(13)14(20)18(15)10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyRGIXSIAELVNJQZ-UHFFFAOYSA-N
XLogP2.73
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethyl-2,4,6-trinitrobenzamide
CID 541760
7-Nitroquinazolin-4(3H)-one
CID 86222800
2-Methyl-3-(4-nitro-benzyl)-3H-quinazolin-4-one
CID 860197
(2,4-Dinitrophenyl)-pyrrolidin-1-ylmethanone
CID 1733315
N-(4-methylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2105453
1,3-dinitro-11H-pyrido[2,1-b]quinazolin-11-one
CID 2232771
N-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2078551
N-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2424716
3-ethyl-2-[(E)-2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 5726633
3-(3-Nitrophenyl)quinazolin-4-one
CID 823518
3-[2-(2-Methylpiperidin-1-yl)-2-oxoethyl]-7-nitroquinazolin-4-one
CID 3954948
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-7-nitroquinazolin-4-one
CID 4571723

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one (CID 14690394) is 2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one is CCN(CC)c1nc2cc([N+](=O)[O-])ccc2c(=O)n1C(C)C.
What is the InChIKey of 2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one?
The InChIKey is RGIXSIAELVNJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-5-17(6-2)15-16-13-9-11(19(21)22)7-8-12(13)14(20)18(15)10(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one?
2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one has a molecular weight of 304.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-7-nitro-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 14690394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).